Adrian wrote: > Thanks for the tip on force vectors - that sounds a > very efficient way to do things - is this sort of > thing possible with PDB files?
There is no mechanism to assign force vectors within .pdb files. > Or is there a way to > convert my PDB crystals into xyz ones? Not sure which tool would work best ... openbabel is one example. > Perhaps an > example somewhere of the force vectors and what they > actually mean physically? www.jmol.org/demo/vibration These force vectors are generally assigned by programs such as Gaussian/Spartan(?) They show vibration of molecules at different frequencies. If you want to move some atoms then that is one option. Miguel ------------------------------------------------------- This SF.Net email is sponsored by: Sybase ASE Linux Express Edition - download now for FREE LinuxWorld Reader's Choice Award Winner for best database on Linux. http://ads.osdn.com/?ad_idU88&alloc_id065&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
